Ethyl 3-hydroxy-4-methoxy-mandelate - CAS 91971-78-7
Catalog: |
BB040396 |
Product Name: |
Ethyl 3-hydroxy-4-methoxy-mandelate |
CAS: |
91971-78-7 |
Synonyms: |
ethyl 2-hydroxy-2-(3-hydroxy-4-methoxyphenyl)acetate |
IUPAC Name: | ethyl 2-hydroxy-2-(3-hydroxy-4-methoxyphenyl)acetate |
Description: | Amebicide. |
Molecular Weight: | 226.23 |
Molecular Formula: | C11H14O5 |
Canonical SMILES: | CCOC(=O)C(C1=CC(=C(C=C1)OC)O)O |
InChI: | InChI=1S/C11H14O5/c1-3-16-11(14)10(13)7-4-5-9(15-2)8(12)6-7/h4-6,10,12-13H,3H2,1-2H3 |
InChI Key: | TVPGKWGQPSIRLU-UHFFFAOYSA-N |
Boiling Point: | 391.9 °C at 760 mmHg |
Density: | 1.26 g/cm3 |
LogP: | 0.99730 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Complexity: | 230 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 226.08412354 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 226.08412354 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 76 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
-
[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
-
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
-
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
-
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
-
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
-
[70912-52-6]C10H13NO4
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS